7-fluoranyl-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoline-3-carboxamide

Systemtic Name: 7-fluoranyl-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoline-3-carboxamide Openeye Name: 7-fluoro-2-methyl-N-[4-(3-pyridylmethylsulfanyl)phenyl]quinoline-3-carboxamide CAS Name: 7-fluoro-2-methyl-N-[4-(3-pyridinylmethylthio)phenyl]-3-quinolinecarboxamide IUPAC Name: 7-fluoro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoline-3-carboxamide Traditional Name: 7-fluoro-2-methyl-N-[4-(3-pyridylmethylthio)phenyl]quinoline-3-carboxamide Formula: C23H18FN3OS MolecularWeight: 403.471923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C23H18FN3OS/c1-15-21(11-17-4-5-18(24)12-22(17)26-15)23(28)27-19-6-8-20(9-7-19)29-14-16-3-2-10-25-13-16/h2-13H,14H2,1H3,(H,27,28)